4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

C13H21N5OS — CID 116669844

IUPAC4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2sc(NC3CC3)nc2N)CC1
InChIInChI=1S/C13H21N5OS/c1-18-6-4-9(5-7-18)15-12(19)10-11(14)17-13(20-10)16-8-2-3-8/h8-9H,2-7,14H2,1H3,(H,15,19)(H,16,17)
InChIKeyJBNXWNKYHHBKGW-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.12
Rot. Bonds4

About 4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116669844) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID116669844
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2sc(NC3CC3)nc2N)CC1
InChIInChI=1S/C13H21N5OS/c1-18-6-4-9(5-7-18)15-12(19)10-11(14)17-13(20-10)16-8-2-3-8/h8-9H,2-7,14H2,1H3,(H,15,19)(H,16,17)
InChIKeyJBNXWNKYHHBKGW-UHFFFAOYSA-N
XLogP1.12
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673291
4-amino-2-(cyclopropylamino)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-5-carboxamide
CID 116667070
4-amino-2-(diethylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669839
4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide
CID 116667333
3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427442
4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 116668669
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide
CID 116672019
4-amino-N-cyclopropyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667655
4-amino-2-(cyclopropylamino)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116672296
4-amino-2-(cyclopropylamino)-N-(5-hydroxypentyl)-1,3-thiazole-5-carboxamide
CID 107324438

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (CID 116669844) is 4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is CN1CCC(NC(=O)c2sc(NC3CC3)nc2N)CC1.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is JBNXWNKYHHBKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-18-6-4-9(5-7-18)15-12(19)10-11(14)17-13(20-10)16-8-2-3-8/h8-9H,2-7,14H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).