4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

C14H19N5OS — CID 116666650

IUPAC4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1sc(NC(C)(C)C)nc1N)c1cccnc1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)18-13-17-11(15)10(21-13)12(20)19(4)9-6-5-7-16-8-9/h5-8H,15H2,1-4H3,(H,17,18)
InChIKeyVGKNCBXMQZMUPM-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.61
Rot. Bonds3

About 4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 116666650) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID116666650
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1sc(NC(C)(C)C)nc1N)c1cccnc1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)18-13-17-11(15)10(21-13)12(20)19(4)9-6-5-7-16-8-9/h5-8H,15H2,1-4H3,(H,17,18)
InChIKeyVGKNCBXMQZMUPM-UHFFFAOYSA-N
XLogP2.61
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 116666657
4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116670684
4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669855
4-amino-2-(tert-butylamino)-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669495
4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 116668033
4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668709
4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide
CID 116666481
4-amino-N-butyl-2-(tert-butylamino)-N-ethyl-1,3-thiazole-5-carboxamide
CID 116668319
4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668999
4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 116673353
4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 116669916
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667409

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 116666650) is 4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is CN(C(=O)c1sc(NC(C)(C)C)nc1N)c1cccnc1.
What is the InChIKey of 4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VGKNCBXMQZMUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-14(2,3)18-13-17-11(15)10(21-13)12(20)19(4)9-6-5-7-16-8-9/h5-8H,15H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(tert-butylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).