5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

C13H23N3OS — CID 43665239

IUPAC5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCC1CCCC1
InChIInChI=1S/C13H23N3OS/c1-16(2)13-15-12(17-3)11(18-13)9-14-8-10-6-4-5-7-10/h10,14H,4-9H2,1-3H3
InChIKeyCATCLIUFLWJIEM-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.50
Rot. Bonds6

About 5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 43665239) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID43665239
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCC1CCCC1
InChIInChI=1S/C13H23N3OS/c1-16(2)13-15-12(17-3)11(18-13)9-14-8-10-6-4-5-7-10/h10,14H,4-9H2,1-3H3
InChIKeyCATCLIUFLWJIEM-UHFFFAOYSA-N
XLogP2.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine
CID 43665141
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 79352826
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 63896681
5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 81388637
4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine
CID 62319971
5-[(dicyclopropylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665172
2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide
CID 43665038
5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 64569644
[1-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol
CID 62520799
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79358881
5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 82710285
5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 63923894

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (CID 43665239) is 5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNCC1CCCC1.
What is the InChIKey of 5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is CATCLIUFLWJIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-16(2)13-15-12(17-3)11(18-13)9-14-8-10-6-4-5-7-10/h10,14H,4-9H2,1-3H3.
What are the key properties of 5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43665239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).