1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide

C14H19N5O2S — CID 125437578

IUPAC1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)NC1(C(N)=O)CCCC1)c1cn2ccsc2n1
InChIInChI=1S/C14H19N5O2S/c1-9(10-8-19-6-7-22-13(19)17-10)16-12(21)18-14(11(15)20)4-2-3-5-14/h6-9H,2-5H2,1H3,(H2,15,20)(H2,16,18,21)/t9-/m0/s1
InChIKeyJDQHBGGVVGTLPF-VIFPVBQESA-N
MW321.41 g/mol
LogP1.55
Rot. Bonds4

About 1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide

1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide (PubChem CID 125437578) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide
PubChem CID125437578
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)NC1(C(N)=O)CCCC1)c1cn2ccsc2n1
InChIInChI=1S/C14H19N5O2S/c1-9(10-8-19-6-7-22-13(19)17-10)16-12(21)18-14(11(15)20)4-2-3-5-14/h6-9H,2-5H2,1H3,(H2,15,20)(H2,16,18,21)/t9-/m0/s1
InChIKeyJDQHBGGVVGTLPF-VIFPVBQESA-N
XLogP1.55
TPSA101.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide (CID 125437578) is 1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide is C[C@H](NC(=O)NC1(C(N)=O)CCCC1)c1cn2ccsc2n1.
What is the InChIKey of 1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide?
The InChIKey is JDQHBGGVVGTLPF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-9(10-8-19-6-7-22-13(19)17-10)16-12(21)18-14(11(15)20)4-2-3-5-14/h6-9H,2-5H2,1H3,(H2,15,20)(H2,16,18,21)/t9-/m0/s1.
What are the key properties of 1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide?
1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]carbamoylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 125437578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).