N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide

C16H26N4O2S — CID 72933096

IUPACN-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N[C@H]2COC[C@@H]2N2CCN(C)CC2)cs1
InChIInChI=1S/C16H26N4O2S/c1-3-4-15-17-13(11-23-15)16(21)18-12-9-22-10-14(12)20-7-5-19(2)6-8-20/h11-12,14H,3-10H2,1-2H3,(H,18,21)/t12-,14-/m0/s1
InChIKeySNRAYRKRGGYSDA-JSGCOSHPSA-N
MW338.48 g/mol
LogP0.84
Rot. Bonds5

About N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide

N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 72933096) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID72933096
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N[C@H]2COC[C@@H]2N2CCN(C)CC2)cs1
InChIInChI=1S/C16H26N4O2S/c1-3-4-15-17-13(11-23-15)16(21)18-12-9-22-10-14(12)20-7-5-19(2)6-8-20/h11-12,14H,3-10H2,1-2H3,(H,18,21)/t12-,14-/m0/s1
InChIKeySNRAYRKRGGYSDA-JSGCOSHPSA-N
XLogP0.84
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide (CID 72933096) is N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)N[C@H]2COC[C@@H]2N2CCN(C)CC2)cs1.
What is the InChIKey of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is SNRAYRKRGGYSDA-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-3-4-15-17-13(11-23-15)16(21)18-12-9-22-10-14(12)20-7-5-19(2)6-8-20/h11-12,14H,3-10H2,1-2H3,(H,18,21)/t12-,14-/m0/s1.
What are the key properties of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72933096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).