4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide

C14H23N5OS — CID 116663032

IUPAC4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1sc(NC2CCC2)nc1N)C1CCNCC1
InChIInChI=1S/C14H23N5OS/c1-19(10-5-7-16-8-6-10)13(20)11-12(15)18-14(21-11)17-9-3-2-4-9/h9-10,16H,2-8,15H2,1H3,(H,17,18)
InChIKeyKUJVZZULNSJZNB-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.51
Rot. Bonds4

About 4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide

4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 116663032) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID116663032
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1sc(NC2CCC2)nc1N)C1CCNCC1
InChIInChI=1S/C14H23N5OS/c1-19(10-5-7-16-8-6-10)13(20)11-12(15)18-14(21-11)17-9-3-2-4-9/h9-10,16H,2-8,15H2,1H3,(H,17,18)
InChIKeyKUJVZZULNSJZNB-UHFFFAOYSA-N
XLogP1.51
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669863
4-amino-2-(tert-butylamino)-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669495
4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 116666308
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclobutylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665514
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
CID 116674025
1-[4-amino-2-(piperidin-3-ylamino)-1,3-thiazol-5-yl]ethanone;methane
CID 157403959
4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide
CID 116663684
4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 116666657
4-amino-2-(cyclobutylamino)-N-[2-(ethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670260
4-amino-2-(cyclobutylamino)-N-[(2-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116673037
4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116664476

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide (CID 116663032) is 4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide is CN(C(=O)c1sc(NC2CCC2)nc1N)C1CCNCC1.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KUJVZZULNSJZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-19(10-5-7-16-8-6-10)13(20)11-12(15)18-14(21-11)17-9-3-2-4-9/h9-10,16H,2-8,15H2,1H3,(H,17,18).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).