4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide

C14H23N5OS — CID 116664088

IUPAC4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC2CCN3CCCC23)s1
InChIInChI=1S/C14H23N5OS/c1-2-6-16-14-18-12(15)11(21-14)13(20)17-9-5-8-19-7-3-4-10(9)19/h9-10H,2-8,15H2,1H3,(H,16,18)(H,17,20)
InChIKeyHWKIVWRYODAEQP-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.51
Rot. Bonds5

About 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116664088) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116664088
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC2CCN3CCCC23)s1
InChIInChI=1S/C14H23N5OS/c1-2-6-16-14-18-12(15)11(21-14)13(20)17-9-5-8-19-7-3-4-10(9)19/h9-10H,2-8,15H2,1H3,(H,16,18)(H,17,20)
InChIKeyHWKIVWRYODAEQP-UHFFFAOYSA-N
XLogP1.51
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
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-(propan-2-yl)-2-(pyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
CID 45031104
4-amino-2-pyrrolidin-1-yl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazole-5-carboxamide
CID 105942024
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665943
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669017
4-amino-2-(3-aminopyrrolidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116670590
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide
CID 116671786
4-amino-2-(propan-2-ylamino)-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-carboxamide
CID 116672188
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2-difluoroethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116673716
4-amino-2-(diethylamino)-N-(propan-2-yl)-1,3-thiazole-5-carboxamide
CID 45031103
N-Cyclopentyl-2-{[6-methyl-7-oxo-2-(pyrrolidin-1-YL)-6H,7H-[1,3]thiazolo[4,5-D]pyrimidin-5-YL]sulfanyl}acetamide
CID 46383107
4-Amino-N-methyl-2-(pyrrolidin-1-YL)-1,3-thiazole-5-carboxamide
CID 50743530
N-Cyclohexyl-2-{[7-oxo-6-(propan-2-YL)-2-(pyrrolidin-1-YL)-6H,7H-[1,3]thiazolo[4,5-D]pyrimidin-5-YL]sulfanyl}acetamide
CID 53205880

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116664088) is 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NC2CCN3CCCC23)s1.
What is the InChIKey of 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is HWKIVWRYODAEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-2-6-16-14-18-12(15)11(21-14)13(20)17-9-5-8-19-7-3-4-10(9)19/h9-10H,2-8,15H2,1H3,(H,16,18)(H,17,20).
What are the key properties of 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).