5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C14H23N3S2 — CID 107154376

IUPAC5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1csc(CCNC2=NCC(CC(C)(C)C)S2)n1
InChIInChI=1S/C14H23N3S2/c1-10-9-18-12(17-10)5-6-15-13-16-8-11(19-13)7-14(2,3)4/h9,11H,5-8H2,1-4H3,(H,15,16)
InChIKeyFIHUWTFKRGCINX-UHFFFAOYSA-N
MW297.49 g/mol
LogP3.49
Rot. Bonds4

About 5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154376) has the molecular formula C14H23N3S2 and a molecular weight of 297.49 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154376
Molecular FormulaC14H23N3S2
Molecular Weight297.49 g/mol
Exact Mass297.13
IUPAC Name5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1csc(CCNC2=NCC(CC(C)(C)C)S2)n1
InChIInChI=1S/C14H23N3S2/c1-10-9-18-12(17-10)5-6-15-13-16-8-11(19-13)7-14(2,3)4/h9,11H,5-8H2,1-4H3,(H,15,16)
InChIKeyFIHUWTFKRGCINX-UHFFFAOYSA-N
XLogP3.49
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153761
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63000811
5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154622
5-(2,2-dimethylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154414
5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154544
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-5-amine
CID 82538991
2,4,6-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82121506
N-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153718
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclohexan-1-ol
CID 106594624
N,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline
CID 63238583
3,3-dimethyl-1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butane-1,2-diamine
CID 112555997

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 107154376) is 5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1csc(CCNC2=NCC(CC(C)(C)C)S2)n1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FIHUWTFKRGCINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S2/c1-10-9-18-12(17-10)5-6-15-13-16-8-11(19-13)7-14(2,3)4/h9,11H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 297.49 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).