4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C14H27N5OS — CID 116668105

IUPAC4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NCC(C)(C)CN(C)C)s1
InChIInChI=1S/C14H27N5OS/c1-9(2)17-13-18-11(15)10(21-13)12(20)16-7-14(3,4)8-19(5)6/h9H,7-8,15H2,1-6H3,(H,16,20)(H,17,18)
InChIKeyCWMPWLZPZBJRKS-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.86
Rot. Bonds7

About 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116668105) has the molecular formula C14H27N5OS and a molecular weight of 313.47 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116668105
Molecular FormulaC14H27N5OS
Molecular Weight313.47 g/mol
Exact Mass313.19
IUPAC Name4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NCC(C)(C)CN(C)C)s1
InChIInChI=1S/C14H27N5OS/c1-9(2)17-13-18-11(15)10(21-13)12(20)16-7-14(3,4)8-19(5)6/h9H,7-8,15H2,1-6H3,(H,16,20)(H,17,18)
InChIKeyCWMPWLZPZBJRKS-UHFFFAOYSA-N
XLogP1.86
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(propan-2-ylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672284
4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672310
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666292
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116664589
4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116673001
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116665759
4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106242061
2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672206
4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672710
4-amino-N-[3-(diethylamino)propyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116668564
4-amino-N-methyl-N-pentan-3-yl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116670351

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116668105) is 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)NCC(C)(C)CN(C)C)s1.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is CWMPWLZPZBJRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5OS/c1-9(2)17-13-18-11(15)10(21-13)12(20)16-7-14(3,4)8-19(5)6/h9H,7-8,15H2,1-6H3,(H,16,20)(H,17,18).
What are the key properties of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).