4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine

C17H22ClN5S — CID 166906458

IUPAC4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine
SMILESClc1cnc(N[C@H]2CCCCN2)cc1-c1csc(NCC2CC2)n1
InChIInChI=1S/C17H22ClN5S/c18-13-9-20-16(23-15-3-1-2-6-19-15)7-12(13)14-10-24-17(22-14)21-8-11-4-5-11/h7,9-11,15,19H,1-6,8H2,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyJXPFAUNPCCVWMJ-HNNXBMFYSA-N
MW363.92 g/mol
LogP4.19
Rot. Bonds6

About 4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine

4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine (PubChem CID 166906458) has the molecular formula C17H22ClN5S and a molecular weight of 363.92 g/mol. Its IUPAC name is 4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine
PubChem CID166906458
Molecular FormulaC17H22ClN5S
Molecular Weight363.92 g/mol
Exact Mass363.13
IUPAC Name4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine
SMILESClc1cnc(N[C@H]2CCCCN2)cc1-c1csc(NCC2CC2)n1
InChIInChI=1S/C17H22ClN5S/c18-13-9-20-16(23-15-3-1-2-6-19-15)7-12(13)14-10-24-17(22-14)21-8-11-4-5-11/h7,9-11,15,19H,1-6,8H2,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyJXPFAUNPCCVWMJ-HNNXBMFYSA-N
XLogP4.19
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.92
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine (CID 166906458) is 4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine is Clc1cnc(N[C@H]2CCCCN2)cc1-c1csc(NCC2CC2)n1.
What is the InChIKey of 4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine?
The InChIKey is JXPFAUNPCCVWMJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22ClN5S/c18-13-9-20-16(23-15-3-1-2-6-19-15)7-12(13)14-10-24-17(22-14)21-8-11-4-5-11/h7,9-11,15,19H,1-6,8H2,(H,20,23)(H,21,22)/t15-/m0/s1.
What are the key properties of 4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine?
4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine has a molecular weight of 363.92 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[[(2S)-piperidin-2-yl]amino]-4-pyridinyl]-N-(cyclopropylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 166906458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).