4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide

C14H24N4OS — CID 116666481

IUPAC4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC1CC1)C(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C14H24N4OS/c1-5-18(8-9-6-7-9)12(19)10-11(15)16-13(20-10)17-14(2,3)4/h9H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyBHUASCVRKAWBHV-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.81
Rot. Bonds5

About 4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide

4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 116666481) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide
PubChem CID116666481
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC1CC1)C(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C14H24N4OS/c1-5-18(8-9-6-7-9)12(19)10-11(15)16-13(20-10)17-14(2,3)4/h9H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyBHUASCVRKAWBHV-UHFFFAOYSA-N
XLogP2.81
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-butyl-2-(tert-butylamino)-N-ethyl-1,3-thiazole-5-carboxamide
CID 116668319
4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 116673353
4-amino-N-(cyclobutylmethyl)-N-ethyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 107403247
4-amino-N-(cyclopropylmethyl)-2-(propan-2-ylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 116663404
4-amino-2-(tert-butylamino)-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669495
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-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663310
4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116665637
4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670296
4-amino-N,N-bis(cyclopropylmethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666777
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-ethylpiperidin-1-yl)methanone
CID 116670390

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide (CID 116666481) is 4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide is CCN(CC1CC1)C(=O)c1sc(NC(C)(C)C)nc1N.
What is the InChIKey of 4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is BHUASCVRKAWBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-5-18(8-9-6-7-9)12(19)10-11(15)16-13(20-10)17-14(2,3)4/h9H,5-8,15H2,1-4H3,(H,16,17).
What are the key properties of 4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide?
4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(tert-butylamino)-N-(cyclopropylmethyl)-N-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).