N-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide

C17H25N7OS — CID 87905749

IUPACN-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide
SMILESCC(C)NC(=O)CNC1CCN(c2cc(Nc3nccs3)ncn2)CC1
InChIInChI=1S/C17H25N7OS/c1-12(2)22-16(25)10-19-13-3-6-24(7-4-13)15-9-14(20-11-21-15)23-17-18-5-8-26-17/h5,8-9,11-13,19H,3-4,6-7,10H2,1-2H3,(H,22,25)(H,18,20,21,23)
InChIKeyWCBZRUOKSMDHLR-UHFFFAOYSA-N
MW375.50 g/mol
LogP1.76
Rot. Bonds7

About N-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide

N-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide (PubChem CID 87905749) has the molecular formula C17H25N7OS and a molecular weight of 375.50 g/mol. Its IUPAC name is N-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide
PubChem CID87905749
Molecular FormulaC17H25N7OS
Molecular Weight375.50 g/mol
Exact Mass375.18
IUPAC NameN-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide
SMILESCC(C)NC(=O)CNC1CCN(c2cc(Nc3nccs3)ncn2)CC1
InChIInChI=1S/C17H25N7OS/c1-12(2)22-16(25)10-19-13-3-6-24(7-4-13)15-9-14(20-11-21-15)23-17-18-5-8-26-17/h5,8-9,11-13,19H,3-4,6-7,10H2,1-2H3,(H,22,25)(H,18,20,21,23)
InChIKeyWCBZRUOKSMDHLR-UHFFFAOYSA-N
XLogP1.76
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide?
The IUPAC name of N-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide (CID 87905749) is N-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide is CC(C)NC(=O)CNC1CCN(c2cc(Nc3nccs3)ncn2)CC1.
What is the InChIKey of N-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide?
The InChIKey is WCBZRUOKSMDHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7OS/c1-12(2)22-16(25)10-19-13-3-6-24(7-4-13)15-9-14(20-11-21-15)23-17-18-5-8-26-17/h5,8-9,11-13,19H,3-4,6-7,10H2,1-2H3,(H,22,25)(H,18,20,21,23).
What are the key properties of N-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide?
N-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide has a molecular weight of 375.50 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide is sourced from PubChem (CID 87905749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).