N-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride

C14H26ClN3O2S — CID 119665899

IUPACN-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CSC2(C)CCC(=O)N12.Cl
InChIInChI=1S/C14H25N3O2S.ClH/c1-3-4-5-10(8-15)16-13(19)11-9-20-14(2)7-6-12(18)17(11)14;/h10-11H,3-9,15H2,1-2H3,(H,16,19);1H
InChIKeyLMSPEKRVQRORNA-UHFFFAOYSA-N
MW335.90 g/mol
LogP1.50
Rot. Bonds6

About N-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride (PubChem CID 119665899) has the molecular formula C14H26ClN3O2S and a molecular weight of 335.90 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride
PubChem CID119665899
Molecular FormulaC14H26ClN3O2S
Molecular Weight335.90 g/mol
Exact Mass335.14
IUPAC NameN-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CSC2(C)CCC(=O)N12.Cl
InChIInChI=1S/C14H25N3O2S.ClH/c1-3-4-5-10(8-15)16-13(19)11-9-20-14(2)7-6-12(18)17(11)14;/h10-11H,3-9,15H2,1-2H3,(H,16,19);1H
InChIKeyLMSPEKRVQRORNA-UHFFFAOYSA-N
XLogP1.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylhexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 112759486
(3S,7aR)-7a-methyl-5-oxo-N-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 94334881
N-(1-cyclopropylethyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 47113824
N-methoxy-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 60716851
methyl (2R)-2-[[(3S,7aR)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3,3-dimethylbutanoate
CID 99809197
N-[2-(2-hydroxyethyl)pentyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 103773029
N-(2-hydroxypropyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 43392746
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 103798939
N-[2-(ethylamino)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 119505907
7a-methyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 103730658
N-(6-hydroxyhexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 103918889
N-[(4-ethoxyphenyl)-phenylmethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 55674554

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride (CID 119665899) is N-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride is CCCCC(CN)NC(=O)C1CSC2(C)CCC(=O)N12.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride?
The InChIKey is LMSPEKRVQRORNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S.ClH/c1-3-4-5-10(8-15)16-13(19)11-9-20-14(2)7-6-12(18)17(11)14;/h10-11H,3-9,15H2,1-2H3,(H,16,19);1H.
What are the key properties of N-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride has a molecular weight of 335.90 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119665899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).