N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine

C13H23N3S — CID 114275792

IUPACN-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCC(C)N(C)c1nc(CCNC2CC2)cs1
InChIInChI=1S/C13H23N3S/c1-4-10(2)16(3)13-15-12(9-17-13)7-8-14-11-5-6-11/h9-11,14H,4-8H2,1-3H3
InChIKeyWVNRHMTXNMIVMJ-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.67
Rot. Bonds7

About N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine

N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 114275792) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID114275792
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCC(C)N(C)c1nc(CCNC2CC2)cs1
InChIInChI=1S/C13H23N3S/c1-4-10(2)16(3)13-15-12(9-17-13)7-8-14-11-5-6-11/h9-11,14H,4-8H2,1-3H3
InChIKeyWVNRHMTXNMIVMJ-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 115716272
N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 114275622
N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 107925898
N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 102929515
N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542717
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81063717
2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol
CID 62754698
3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine
CID 106039550
3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 62416971
N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 103151329
4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 83886105
N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 115671381

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine (CID 114275792) is N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine is CCC(C)N(C)c1nc(CCNC2CC2)cs1.
What is the InChIKey of N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is WVNRHMTXNMIVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-10(2)16(3)13-15-12(9-17-13)7-8-14-11-5-6-11/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 114275792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).